1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone

C14H14N2O3 — CID 3575416

IUPAC1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2cc3ccccc3o2)C(C)(O)C1
InChIInChI=1S/C14H14N2O3/c1-9-8-14(2,18)16(15-9)13(17)12-7-10-5-3-4-6-11(10)19-12/h3-7,18H,8H2,1-2H3
InChIKeyJFLKOMZUUCAXEH-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.36
Rot. Bonds1

About 1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone

1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone (PubChem CID 3575416) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
PubChem CID3575416
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2cc3ccccc3o2)C(C)(O)C1
InChIInChI=1S/C14H14N2O3/c1-9-8-14(2,18)16(15-9)13(17)12-7-10-5-3-4-6-11(10)19-12/h3-7,18H,8H2,1-2H3
InChIKeyJFLKOMZUUCAXEH-UHFFFAOYSA-N
XLogP2.36
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone (CID 3575416) is 1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone is CC1=NN(C(=O)c2cc3ccccc3o2)C(C)(O)C1.
What is the InChIKey of 1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone?
The InChIKey is JFLKOMZUUCAXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-8-14(2,18)16(15-9)13(17)12-7-10-5-3-4-6-11(10)19-12/h3-7,18H,8H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone?
1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone has a molecular weight of 258.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 3575416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).